methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate

C17H16N2O3 — CID 117256440

IUPACmethyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(COc3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-12-4-3-5-15(8-12)22-11-14-10-19-7-6-13(17(20)21-2)9-16(19)18-14/h3-10H,11H2,1-2H3
InChIKeyGNMHBWGYLGIKAI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.01
Rot. Bonds4

About methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate

methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117256440) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117256440
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(COc3cccc(C)c3)nc2c1
InChIInChI=1S/C17H16N2O3/c1-12-4-3-5-15(8-12)22-11-14-10-19-7-6-13(17(20)21-2)9-16(19)18-14/h3-10H,11H2,1-2H3
InChIKeyGNMHBWGYLGIKAI-UHFFFAOYSA-N
XLogP3.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117256445
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256424
N-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51112147
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117135564
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(3-methylphenyl)sulfonylbenzamide
CID 112830456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 117256440) is methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(COc3cccc(C)c3)nc2c1.
What is the InChIKey of methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is GNMHBWGYLGIKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-4-3-5-15(8-12)22-11-14-10-19-7-6-13(17(20)21-2)9-16(19)18-14/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117256440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).